376096

Source:http://linkedlifedata.com/resource/chembl/compound/376096

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H26N4O4/c1-31-20-8-4-3-7-19(20)27-22(29)17-10-9-16(15-18(17)25-23(27)30)21(28)24-11-14-26-12-5-2-6-13-26/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,28)(H,25,30)
chemicalCompound:standardIn...	VDMHJHNZCUKATN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2C(=O)Nc3cc(ccc3C2=O)C(=O)NCCN4CCCCC4
chemicalCompound:molecularF...	C23 H26 N4 O4
chemicalCompound:moleculeId	376096
chemicalCompound:mwFreebase	422.477
chemicalCompound:alogp	2.594
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	90.98
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.729
chemicalCompound:acdLogP	2.376
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	422.477
chemicalCompound:acdMostBpk...	8.722
chemicalCompound:chemblId	CHEMBL224226
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:476096
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1854536